AM1 treatment of some prostanoids

Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.617, pp.181-187, 2002 (SCI-Expanded) identifier identifier


Prostaglandins, PGD(2), PGE(2), PGH(2), PGI(2) and thromboxane TXA(2) which are all isomeric to each other were subjected to AM1(RHF) type quantum chemical treatment. PGI(2) was found to be the most stable and most exothermic of all the five, whereas PGH2 stands for the least stable and the least exothermic. Some calculated properties of these structures were also reported. (C) 2002 Elsevier Science B.V. All rights reserved.